Geometry & MOs

Info

ID:	135710
PubChem CID:	51920663
Reduced:	FSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-146.28
Dipole, Da:	3.57
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations