Geometry & MOs

Info

ID:	422291
PubChem CID:	135117567
Reduced:	N4O5C28H44 (1)
Stoich.:	A4B5C28D44 (1)
Weight, g/mol:	420.11775
ΔH_f, kcal/mol:	-248.63
Dipole, Da:	7.86
IP(EA), eV:	-8.95(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)sulfonyl]-3-methyl-1-benzothiophene-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CCCC(C)C

DOS

IR

Vibrations