Geometry & MOs

Info

ID:	152187
PubChem CID:	56311060
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	3.19
IP(EA), eV:	-8.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations