Geometry & MOs

Info

ID:	380558
PubChem CID:	134971040
Reduced:	NO6C25H27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-199.81
Dipole, Da:	6.19
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S,7S)-4,6-dimethyl-1-oxo-4,6-diphenyl-3,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-7-carbonitrile

Drug info:

PubChemData

Smile

C[C@@]1(COC(=O)C2N1[C@]([C@H]([C@@H]2C(=O)OC)C(=O)OC)(C)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations