Geometry & MOs

Info

ID:	217535
PubChem CID:	85087960
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	372.187149
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	6.48
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)C=O)C)O)C)O)(C)C

DOS

IR

Vibrations