Geometry & MOs

Info

ID:	50554
PubChem CID:	12013101
Reduced:	SN3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	405.147727
ΔH_f, kcal/mol:	66.49
Dipole, Da:	4.34
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

Drug info:

PubChemData

Smile

C1CCCCCC2(CCCCC1)N=NC(=NC3=CC=CC4=CC=CC=C43)S2

DOS

IR

Vibrations