Geometry & MOs

Info

ID:	33216
PubChem CID:	7885431
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-181.21
Dipole, Da:	4.13
IP(EA), eV:	-9.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NC)C

DOS

IR

Vibrations