Geometry & MOs

Info

ID:	34320
PubChem CID:	7890755
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-211.06
Dipole, Da:	4.36
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)C

DOS

IR

Vibrations