Geometry & MOs

Info

ID:	33039
PubChem CID:	7850448
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	1.81
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations