Geometry & MOs

Info

ID:	31858
PubChem CID:	3721242
Reduced:	ClSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	10.69
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)O)Cl

DOS

IR

Vibrations