Geometry & MOs

Info

ID:	236995
PubChem CID:	92716671
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	5.42
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CC(=O)C2=C(O1)C=CC3=C2C(=C(O3)C(=O)N[C@H]4CCCC[C@@H]4C)C)C

DOS

IR

Vibrations