Geometry & MOs

Info

ID:	425717
PubChem CID:	135127596
Reduced:	S3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	425.141579
ΔH_f, kcal/mol:	16.85
Dipole, Da:	2.04
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-cyclopenta-2,4-dien-1-ylphenyl)-15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaen-14-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1C(C)CC2=CC(=C(S2)C)C(C)C)CC(C)C3=CSC=C3

DOS

IR

Vibrations