Geometry & MOs

Info

ID:	312392
PubChem CID:	126604581
Reduced:	O4C21H40 (1)
Stoich.:	A4B21C40 (1)
Weight, g/mol:	470.227768
ΔH_f, kcal/mol:	-183.13
Dipole, Da:	2.9
IP(EA), eV:	-9.65(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[(E)-3-[[1-(aminomethylideneamino)-2-(methylcarbamoyl)prop-2-enylidene]amino]-2-methylprop-2-enyl]amino]benzoyl]amino]-5-oxohexanoic acid

Drug info:

PubChemData

Smile

CCC(C)COC(C)(C)CC(CCC1CO1)COC(C)(C)CC2CO2

DOS

IR

Vibrations