Geometry & MOs

Info

ID:	148742
PubChem CID:	53788411
Reduced:	N3O3C7H9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	659.277755
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	6.14
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-(benzylcarbamoylamino)-2-[4-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N=C1)NCC(=O)O

DOS

IR

Vibrations