Geometry & MOs

Info

ID:	40078
PubChem CID:	8143532
Reduced:	S2N4C15H21 (1)
Stoich.:	A2B4C15D21 (1)
Weight, g/mol:	330.173213
ΔH_f, kcal/mol:	73.11
Dipole, Da:	15.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762044
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-phenyl-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3)C

DOS

IR

Vibrations