Geometry & MOs

Info

ID:	162296
PubChem CID:	57394216
Reduced:	NSO4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	396.220164
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	6.4
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,14R,15R)-25-(cyclopropylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-21-ol

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC2=C(C=C1)SC3=C(C=C(C(=O)N23)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations