Geometry & MOs

Info

ID:	157984
PubChem CID:	56459373
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	3.8
IP(EA), eV:	-8.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations