Geometry & MOs

Info

ID:	166214
PubChem CID:	74650745
Reduced:	SO3N6C22H30 (1)
Stoich.:	AB3C6D22E30 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	4.28
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3N=C2C

DOS

IR

Vibrations