Geometry & MOs

Info

ID:	152601
PubChem CID:	56311572
Reduced:	SN3O5C21H31 (1)
Stoich.:	AB3C5D21E31 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-193.65
Dipole, Da:	1.39
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)N(C)C2CCS(=O)(=O)C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations