Geometry & MOs

Info

ID:	160934
PubChem CID:	57390295
Reduced:	ClO2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	545.227434
ΔH_f, kcal/mol:	37.68
Dipole, Da:	3.09
IP(EA), eV:	-8.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=NNC(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations