Geometry & MOs

Info

ID:	422061
PubChem CID:	135117116
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	85.98
Dipole, Da:	4.9
IP(EA), eV:	-8.29(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[4-(4-tert-butylphenyl)-4-oxobutyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCCCN3C=C(COC4=C(CN5CCCC(C5)CCNC2=O)C=CC=C4OC)N=N3

DOS

IR

Vibrations