Geometry & MOs

Info

ID:	43507
PubChem CID:	10321402
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	447.096286
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	4.12
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-ethyl-2-thiophen-3-yl-6H-phenanthridin-5-yl)sulfonyl]phenol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1)C2=CC3=C(C[C@H]4[C@H]3[C@H](C(=O)O4)CCCCC(=N)N)C=C2

DOS

IR

Vibrations