Geometry & MOs

Info

ID:	430806
PubChem CID:	135170873
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	422.117939
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	0.97
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-N-propan-2-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3)C(=O)C5CC(CO5)O

DOS

IR

Vibrations