Geometry & MOs

Info

ID:	225316
PubChem CID:	85756468
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	581.263168
ΔH_f, kcal/mol:	-34.06
Dipole, Da:	7.77
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations