Geometry & MOs

Info

ID:	136631
PubChem CID:	52075860
Reduced:	OSCl2N4C19H22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	448.169975
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	4.53
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=N1)Cl)C(=O)NC[C@H](C2=CC=CC=C2Cl)N3CCCC3

DOS

IR

Vibrations