Geometry & MOs

Info

ID:	157603
PubChem CID:	56435996
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-147.34
Dipole, Da:	5.45
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-ethylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations