Geometry & MOs

Info

ID:	240641
PubChem CID:	93616923
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	348.08116
ΔH_f, kcal/mol:	1.04
Dipole, Da:	4.56
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CS1)NC(=O)C2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations