Geometry & MOs

Info

ID:	218289
PubChem CID:	85089132
Reduced:	FO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	445.181313
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-3-(3-cyanophenyl)propanoate

Drug info:

PubChemData

Smile

CC1C2CNC(=CN2C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations