Geometry & MOs

Info

ID:	43939
PubChem CID:	10322220
Reduced:	PN2O5C23H50 (1)
Stoich.:	AB2C5D23E50 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-329.06
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751131
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC[C@H]([C@H](CCCP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

DOS

IR

Vibrations