Geometry & MOs

Info

ID:	152190
PubChem CID:	56311063
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-124.07
Dipole, Da:	3.67
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations