Geometry & MOs

Info

ID:	65180
PubChem CID:	29204578
Reduced:	ClN4O4H21C25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	493.107434
ΔH_f, kcal/mol:	-21.57
Dipole, Da:	2.28
IP(EA), eV:	-8.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[[(4-chlorobenzoyl)amino]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NNC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations