Geometry & MOs

Info

ID:	448698
PubChem CID:	135292853
Reduced:	N3O7C13H13 (1)
Stoich.:	A3B7C13D13 (1)
Weight, g/mol:	643.186082
ΔH_f, kcal/mol:	-274.69
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z,4Z)-3-(1,2-dihydroxyprop-2-enylidene)-4-[hydroxy-[[2,3,5,6-tetrahydroxy-4-(morpholin-4-ylmethyl)phenyl]methoxy]methylidene]-2-oxopyrrolidin-1-yl]-3,3,4,4-tetrahydroxy-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(C(=O)NC1=O)(N2CC3=C(C2=O)C(=C(C(=C3N)O)O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(C(=O)NC1=O)(N2CC3=C(C2=O)C(=C(C(=C3N)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):