Geometry & MOs

Info

ID:	391822
PubChem CID:	135009934
Reduced:	N5O8H33C40 (1)
Stoich.:	A5B8C33D40 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-155.65
Dipole, Da:	4.99
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2S)-hex-3-en-2-yl] carbamate

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)(C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7

DOS

IR

Vibrations