Geometry & MOs

Info

ID:	141048
PubChem CID:	52809289
Reduced:	SO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	8.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087491
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-phenylacetyl)amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNC(=O)C3=CC=C(NC3=O)C4=CC=CS4

DOS

IR

Vibrations