Geometry & MOs

Info

ID:	219653
PubChem CID:	85164341
Reduced:	O3N8C28H46 (1)
Stoich.:	A3B8C28D46 (1)
Weight, g/mol:	542.10525
ΔH_f, kcal/mol:	-128.23
Dipole, Da:	3.19
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[3-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridin-2-yl]methyl]-3-formyl-4-phenylmethoxyindole-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=CC(=N2)CNCC(C(=O)N)N

DOS

IR

Vibrations