Geometry & MOs

Info

ID:	155350
PubChem CID:	56352940
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	417.127776
ΔH_f, kcal/mol:	-68.34
Dipole, Da:	4.43
IP(EA), eV:	-9.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations