Geometry & MOs

Info

ID:	178939
PubChem CID:	76403837
Reduced:	NOC4H7 (4)
Stoich.:	ABC4D7 (4)
Weight, g/mol:	312.136845
ΔH_f, kcal/mol:	-206.89
Dipole, Da:	5.1
IP(EA), eV:	-9.49(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)NC1CC(NC1)C(=O)N2CCC(=O)NCC2

DOS

IR

Vibrations