Geometry & MOs

Info

ID:	177937
PubChem CID:	76254378
Reduced:	O3N7C25H33 (1)
Stoich.:	A3B7C25D33 (1)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	7.68
IP(EA), eV:	-8.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N)N

DOS

IR

Vibrations