Geometry & MOs

Info

ID:	44418
PubChem CID:	10503443
Reduced:	N4O7C21H24 (1)
Stoich.:	A4B7C21D24 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	4.05
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(Z)-[(2S)-6-oxo-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-5-ylidene]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CC(=O)OC)O)COC

DOS

IR

Vibrations