Geometry & MOs

Info

ID:	188625
PubChem CID:	77744196
Reduced:	N5O7H29C36 (1)
Stoich.:	A5B7C29D36 (1)
Weight, g/mol:	377.114234
ΔH_f, kcal/mol:	-104.21
Dipole, Da:	7.09
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylphenyl)methyl]-2-(furan-2-yl)-5-hydroxy-N-methyl-6-oxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C=CCC(C1C(C(C(O1)N2C=C(C3=C(N=CN=C32)N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations