Geometry & MOs

Info

ID:	136638
PubChem CID:	52076452
Reduced:	ClOSN4C30H37 (1)
Stoich.:	ABCD4E30F37 (1)
Weight, g/mol:	458.134338
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	5.38
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)Cl)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)N4CCCCC4

DOS

IR

Vibrations