Geometry & MOs

Info

ID:	437572
PubChem CID:	135226617
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	1.76
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4S)-1,4-dimethyl-4-(8-methyldibenzothiophen-2-yl)-6-oxo-5H-pyrimidin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)[C@](C)(CC(=O)OC)N

DOS

IR

Vibrations