Geometry & MOs

Info

ID:	183021
PubChem CID:	76969388
Reduced:	NO2C18H35 (4)
Stoich.:	AB2C18D35 (4)
Weight, g/mol:	335.897151
ΔH_f, kcal/mol:	-583.25
Dipole, Da:	3.7
IP(EA), eV:	-8.56(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide

Drug info:

Smile

CCCN(CC)C[C@H]1COC2(O1)CCC(CC2)C(C)(C)C.CCCN(CC)C[C@H]1COC2(O1)CCC(CC2)C(C)(C)C.CCCN(CC)C[C@@H]1COC2(O1)CCC(CC2)C(C)(C)C.CCCN(CC)C[C@@H]1COC2(O1)CCC(CC2)C(C)(C)C

DOS

IR

Vibrations