Geometry & MOs

Info

ID:	37360
PubChem CID:	8020152
Reduced:	N2F3O5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-289.39
Dipole, Da:	9.98
IP(EA), eV:	-10.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2CCCC2

DOS

IR

Vibrations