Geometry & MOs

Info

ID:	142242
PubChem CID:	53005318
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	488.209341
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	2.91
IP(EA), eV:	-8.84(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C(=C(N2)C)S(=O)(=O)N3CCCC3)C)C

DOS

IR

Vibrations