Geometry & MOs

Info

ID:	314991
PubChem CID:	126624127
Reduced:	FO3N6H27C28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	13.44
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-3-methyl-5,6,7,8-tetrahydrothieno[3,2-c]azepin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CN=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=CC=C5)F

DOS

IR

Vibrations