Geometry & MOs

Info

ID:	321871
PubChem CID:	126667105
Reduced:	OSN7C25H33 (1)
Stoich.:	ABC7D25E33 (1)
Weight, g/mol:	202.003286
ΔH_f, kcal/mol:	60.39
Dipole, Da:	4.28
IP(EA), eV:	-7.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dihydroxyphenyl)methyl carbonochloridate

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N(C(=C2C3=NC(=NC=C3)NC4=C(C=C(C(=C4)N)N(C)CCN(C)C)OC)C)C

DOS

IR

Vibrations