Geometry & MOs

Info

ID:	38740
PubChem CID:	8137850
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations