Geometry & MOs

Info

ID:	407322
PubChem CID:	135079824
Reduced:	LiNO3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-147.86
Dipole, Da:	7.89
IP(EA), eV:	-7.17(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(E)-N-benzamido-C-methylcarbonimidoyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

[Li+].C[C@@]12CC[C@H](C1[CH-]C3=CC=CC=C23)OC(=O)N4C(COC4(C)C)(C)C

DOS

IR

Vibrations