Geometry & MOs

Info

ID:	413391
PubChem CID:	135086340
Reduced:	BrN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	8.44
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(3-formyl-1H-indol-2-yl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)Br)C3=CC(=NC=C31)C(=O)NC(C(C)C)C(=O)OCC

DOS

IR

Vibrations