Geometry & MOs

Info

ID:	33211
PubChem CID:	7885407
Reduced:	BrNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	2.19
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethylcarbamoyl)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br)C

DOS

IR

Vibrations