Geometry & MOs

Info

ID:	237266
PubChem CID:	92718061
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	441.145534
ΔH_f, kcal/mol:	24.46
Dipole, Da:	4.35
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=N2)S[C@@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations