Geometry & MOs

Info

ID:	353188
PubChem CID:	127284368
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	370.203862
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	5.65
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N)C(=O)CCC2=CC3=CC=CC=C3O2

DOS

IR

Vibrations