Geometry & MOs

Info

ID:	235101
PubChem CID:	92304039
Reduced:	NF2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	4.38
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2CC(=O)N(C(=C2C(=O)OC(C)C)C)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations