Geometry & MOs

Info

ID:	43849
PubChem CID:	10321879
Reduced:	NSO5C25H31 (1)
Stoich.:	ABC5D25E31 (1)
Weight, g/mol:	457.272927
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	6.93
IP(EA), eV:	-9.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H]3CC[C@@]([C@@H]2OC(=O)[C@@H](C4=CC=CC=C4)O)(C3(C)C)C

DOS

IR

Vibrations