Geometry & MOs

Info

ID:	38105
PubChem CID:	8027044
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	6.88
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-(2-methoxyethyl)-5-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations