Geometry & MOs

Info

ID:	76325
PubChem CID:	48424783
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	349.090328
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	3.79
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CSC(=C1)Br)OCC2CC2

DOS

IR

Vibrations