Geometry & MOs

Info

ID:	349320
PubChem CID:	127275107
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	1.97
Dipole, Da:	2.79
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations