Geometry & MOs

Info

ID:	139756
PubChem CID:	52590052
Reduced:	N2S2O3C18H28 (1)
Stoich.:	A2B2C3D18E28 (1)
Weight, g/mol:	456.150764
ΔH_f, kcal/mol:	-143.99
Dipole, Da:	8.2
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC3=C(S2)CC[C@@H](C3)C

DOS

IR

Vibrations