Geometry & MOs

Info

ID:	72516
PubChem CID:	48416260
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-132.09
Dipole, Da:	3.34
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(N=CS2)C)C(=O)OC

DOS

IR

Vibrations