Geometry & MOs

Info

ID:	163423
PubChem CID:	57939494
Reduced:	O2N3F7C28H32 (1)
Stoich.:	A2B3C7D28E32 (1)
Weight, g/mol:	163.0667
ΔH_f, kcal/mol:	-448.69
Dipole, Da:	7.83
IP(EA), eV:	-9.49(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(3-methylsulfanylpropyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2C[C@@H](CCN2C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)C(C)(C)C

DOS

IR

Vibrations