Geometry & MOs

Info

ID:	49734
PubChem CID:	11533684
Reduced:	SN4O5H26C27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	518.25292
ΔH_f, kcal/mol:	-40.48
Dipole, Da:	7.16
IP(EA), eV:	-8.82(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methylcarbamoylamino]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations