Geometry & MOs

Info

ID:	244747
PubChem CID:	99381384
Reduced:	O3N7H15C17 (1)
Stoich.:	A3B7C15D17 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	9.44
Dipole, Da:	4.96
IP(EA), eV:	-9.47(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-(1-methylimidazol-2-yl)sulfanylanilino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC(=O)N)NC(=O)C2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations