Geometry & MOs

Info

ID:	152279
PubChem CID:	56311176
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	481.178376
ΔH_f, kcal/mol:	-161.97
Dipole, Da:	4.07
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCOC3C2CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations