Geometry & MOs

Info

ID:	132971
PubChem CID:	51455222
Reduced:	N2O3C11H17 (2)
Stoich.:	A2B3C11D17 (2)
Weight, g/mol:	457.086305
ΔH_f, kcal/mol:	-283.12
Dipole, Da:	2.36
IP(EA), eV:	-9.77(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1[C@H]2[C@H](N(C1=O)C3CCCCC3)O[C@@H](O2)[C@@H]4O[C@H]5[C@@H](O4)N(C(=O)N5C)C6CCCCC6

DOS

IR

Vibrations