Geometry & MOs

Info

ID:	33730
PubChem CID:	7887786
Reduced:	N2O2C27H30 (1)
Stoich.:	A2B2C27D30 (1)
Weight, g/mol:	392.134068
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	3.9
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCC4

DOS

IR

Vibrations