Geometry & MOs

Info

ID:	242809
PubChem CID:	99206448
Reduced:	SN4O4H16C18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	482.146931
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	5.29
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-[3-nitro-4-[[(1R)-1-pyridin-2-ylethyl]amino]phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2=NC(=NS2)C3=CC=CC=C3)OCC(=O)N

DOS

IR

Vibrations