Geometry & MOs

Info

ID:	412191
PubChem CID:	135085066
Reduced:	N3O3C29H41 (1)
Stoich.:	A3B3C29D41 (1)
Weight, g/mol:	478.237345
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	1.14
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3,3-dimethylbutanoic acid;methanol;oxovanadium

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](CC1=CC=CC=C1)CC(=O)[C@H](C(C)(C)C)N=CC2=NC(=CC=C2)OC(C)C

DOS

IR

Vibrations