Geometry & MOs

Info

ID:	176696
PubChem CID:	76083957
Reduced:	S4O6N9C18H21 (1)
Stoich.:	A4B6C9D18E21 (1)
Weight, g/mol:	312.179755
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	8.65
IP(EA), eV:	-9.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-6-oxopiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CSCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCO)C(=O)O

DOS

IR

Vibrations