Geometry & MOs

Info

ID:	305700
PubChem CID:	124965968
Reduced:	ClO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	5.3
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzyl-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N2CCC[C@H](C2)C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations