Geometry & MOs

Info

ID:	446511
PubChem CID:	135275558
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	436.204531
ΔH_f, kcal/mol:	-141.05
Dipole, Da:	4.22
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methanimidoyl-2,5-dihydropyrrol-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)N3CCS(=O)(=O)CC3)C(=O)O

DOS

IR

Vibrations