Geometry & MOs

Info

ID:	384056
PubChem CID:	134976261
Reduced:	PSSiN4O13C50H63 (1)
Stoich.:	ABCD4E13F50G63 (1)
Weight, g/mol:	120.0939
ΔH_f, kcal/mol:	-599.6
Dipole, Da:	9.08
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-cyclonon-1-en-3-yne

Drug info:

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(OCC=C)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations