Geometry & MOs

Info

ID:	225313
PubChem CID:	85756465
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	468.179104
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	7.21
IP(EA), eV:	-8.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(diaminomethylideneamino)-2-[[2-(4-nitrophenyl)acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations