Geometry & MOs

Info

ID:	196861
PubChem CID:	78888726
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	2.15
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=C(N=C2SC)C3=CC=CO3)C

DOS

IR

Vibrations