Geometry & MOs

Info

ID:	170601
PubChem CID:	75258531
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	7.17
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1-methylimidazol-4-yl)-6-oxo-1,3-diazinan-4-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3C=CC(=NC3=O)C

DOS

IR

Vibrations