Geometry & MOs

Info

ID:	233505
PubChem CID:	90944935
Reduced:	SF3N3O5C28H32 (1)
Stoich.:	AB3C3D5E28F32 (1)
Weight, g/mol:	74.048013
ΔH_f, kcal/mol:	-335.86
Dipole, Da:	0.87
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanamide;methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC=CC(F)(F)F)(C)C)O

DOS

IR

Vibrations