Geometry & MOs

Info

ID:	178250
PubChem CID:	76303850
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	424.178041
ΔH_f, kcal/mol:	8.93
Dipole, Da:	2.17
IP(EA), eV:	-8.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)Cl)C(=O)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations