Geometry & MOs

Info

ID:	131081
PubChem CID:	51152916
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	5.32
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations