Geometry & MOs

Info

ID:	180360
PubChem CID:	76621114
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	249.932704
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	8.49
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-(disulfanyl)phenyl]methoxymethanone;vanadium

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=O)C3=C2C4C56CCN(C(C5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)C=C1

DOS

IR

Vibrations