Geometry & MOs

Info

ID:	430930
PubChem CID:	135171000
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	457.097538
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	3.75
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations