Geometry & MOs

Info

ID:	176312
PubChem CID:	76032086
Reduced:	O5C27H40 (1)
Stoich.:	A5B27C40 (1)
Weight, g/mol:	498.139548
ΔH_f, kcal/mol:	-248.12
Dipole, Da:	3.57
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1=C(C(=C2C(C1=O)(CC(O2)C(C)(C)O)CC=C(C)CCC=C(C)C)C)O

DOS

IR

Vibrations