Geometry & MOs

Info

ID:	135387
PubChem CID:	51865063
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	2.47
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NC[C@H](C2=CC=CS2)N(C)C)CC

DOS

IR

Vibrations