Geometry & MOs

Info

ID:	132973
PubChem CID:	51455757
Reduced:	SN5O8C16H16 (1)
Stoich.:	AB5C8D16E16 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-144.49
Dipole, Da:	7.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790819
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations