Geometry & MOs

Info

ID:	219463
PubChem CID:	85148709
Reduced:	NSiO3C31H49 (1)
Stoich.:	ABC3D31E49 (1)
Weight, g/mol:	511.151013
ΔH_f, kcal/mol:	-193.2
Dipole, Da:	1.51
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(4-chloro-3-methoxy-1-oxoisochromen-7-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)C(C(C)N2CCC(CC2)(CCC3=CC=CC=C3)O)O

DOS

IR

Vibrations