Geometry & MOs

Info

ID:	33214
PubChem CID:	7885423
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-228.46
Dipole, Da:	3.06
IP(EA), eV:	-9.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC(=O)COC(=O)CNC(=O)C1=CC(=C(C=C1)C)C

DOS

IR

Vibrations