Geometry & MOs

Info

ID:	446495
PubChem CID:	135275454
Reduced:	SN4O4C31H36 (1)
Stoich.:	AB4C4D31E36 (1)
Weight, g/mol:	450.220181
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	6.88
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z)-3-(aminomethylidene)-4-methyliminopyrrolidin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)CC(C(=O)NC5CCCCC5)N(C)C

DOS

IR

Vibrations