Geometry & MOs

Info

ID:	404084
PubChem CID:	135064943
Reduced:	ClN2O2C25H31 (1)
Stoich.:	AB2C2D25E31 (1)
Weight, g/mol:	375.1646
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	6.7
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2,2-difluoro-1-(3-methylphenyl)-3-oxo-3-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC1=C(CCCO1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations