Geometry & MOs

Info

ID:	33432
PubChem CID:	7886425
Reduced:	OS2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	388.139154
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	6.24
IP(EA), eV:	-8.88(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@@H](C)SC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations