Geometry & MOs

Info

ID:	339515
PubChem CID:	127261505
Reduced:	N7O7C15H25 (1)
Stoich.:	A7B7C15D25 (1)
Weight, g/mol:	529.224474
ΔH_f, kcal/mol:	-323.42
Dipole, Da:	7.17
IP(EA), eV:	-9.87(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

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

CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)CC(=O)N

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

CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)CC(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):