Geometry & MOs

Info

ID:	39611
PubChem CID:	8141623
Reduced:	ClF2N2O2C19H19 (1)
Stoich.:	AB2C2D2E19F19 (1)
Weight, g/mol:	424.196234
ΔH_f, kcal/mol:	-161.83
Dipole, Da:	5.3
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-phenyladamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations