Geometry & MOs

Info

ID:	180128
PubChem CID:	76582643
Reduced:	ON3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	469.12269
ΔH_f, kcal/mol:	34.62
Dipole, Da:	6.76
IP(EA), eV:	-8.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3N

DOS

IR

Vibrations