Geometry & MOs

Info

ID:	148812
PubChem CID:	53788481
Reduced:	NSCl2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	505.085906
ΔH_f, kcal/mol:	6.84
Dipole, Da:	4.59
IP(EA), eV:	-8.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(3-fluoro-2,6-dimethoxyphenyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(CN(C)C)C(C)C1=CC=C(C=C1)SCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations