Geometry & MOs

Info

ID:	138645
PubChem CID:	52399645
Reduced:	FOSN2C22H23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	359.105211
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	4.84
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCNC(=O)C[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations