Geometry & MOs

Info

ID:	32727
PubChem CID:	7847397
Reduced:	NS2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	5.17
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@@H]2CCS(=O)(=O)C2)C)C(=O)CSC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations