Geometry & MOs

Info

ID:	187314
PubChem CID:	77557437
Reduced:	S2N4O7C36H44 (1)
Stoich.:	A2B4C7D36E44 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-224.06
Dipole, Da:	5.56
IP(EA), eV:	-8.76(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[methyl(1,3-thiazol-4-yl)amino]-2-phenylpentanamide

Drug info:

PubChemData

Smile

CCCCC1(C(=O)N(C2=C(C=C(C(C2=O)SC)OCC(=O)NC(C3=CC=CC=C3)C(=O)NCCC(=O)O)SN1)C4=CC=CC=C4)CCCC

DOS

IR

Vibrations