Geometry & MOs

Info

ID:	49390
PubChem CID:	11532959
Reduced:	O2C15H24 (2)
Stoich.:	A2B15C24 (2)
Weight, g/mol:	472.091388
ΔH_f, kcal/mol:	-252.46
Dipole, Da:	5.44
IP(EA), eV:	-9.58(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC[C@@]2(CCC3(C(=CCC4C3(CCC5C4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2C1)C)C(=O)O)C

DOS

IR

Vibrations