Geometry & MOs

Info

ID:	369065
PubChem CID:	127331206
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	3.87
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations