Geometry & MOs

Info

ID:	130846
PubChem CID:	51116460
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	4.95
IP(EA), eV:	-8.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-[[4-(3-methylphenyl)piperazine-1-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)NCC(C)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations