Geometry & MOs

Info

ID:	237408
PubChem CID:	92719080
Reduced:	SO2N5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	51.21
Dipole, Da:	5.44
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

DOS

IR

Vibrations