Geometry & MOs

Info

ID:	151770
PubChem CID:	56310571
Reduced:	N3O7C25H29 (1)
Stoich.:	A3B7C25D29 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-248.0
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations