Geometry & MOs

Info

ID:	417369
PubChem CID:	135092744
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	568.220096
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	4.31
IP(EA), eV:	-9.19(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-(2-methoxyacetyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations