Geometry & MOs

Info

ID:	157567
PubChem CID:	56435745
Reduced:	SN3O5C22H35 (1)
Stoich.:	AB3C5D22E35 (1)
Weight, g/mol:	470.208469
ΔH_f, kcal/mol:	-219.4
Dipole, Da:	5.25
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-(3-methylbutanoylamino)-2-phenylacetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N(CC)CC(C)C(=O)OC

DOS

IR

Vibrations