Geometry & MOs

Info

ID:	148635
PubChem CID:	53788303
Reduced:	O2N3H27C29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	698.365265
ΔH_f, kcal/mol:	58.8
Dipole, Da:	4.8
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]acetyl]amino]acetyl]amino]pentanamide

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

C1=CC=C(C=C1)C=CC2=NC(=CO2)COC3=CC=C(C=C3)CCCCN4C=NC5=CC=CC=C54

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

C1=CC=C(C=C1)C=CC2=NC(=CO2)COC3=CC=C(C=C3)CCCCN4C=NC5=CC=CC=C54

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):