Geometry & MOs

Info

ID:	237535
PubChem CID:	92719546
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	451.229348
ΔH_f, kcal/mol:	-157.57
Dipole, Da:	6.46
IP(EA), eV:	-8.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[(4-ethylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)NCC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations