Geometry & MOs

Info

ID:	47188
PubChem CID:	10530534
Reduced:	IO3C27H43 (1)
Stoich.:	AB3C27D43 (1)
Weight, g/mol:	542.346821
ΔH_f, kcal/mol:	-180.23
Dipole, Da:	2.69
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-butyl-7-[[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indole-2-carbonyl]amino]heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3[C@](OC2=C1)(C)CCCI)CO)O

DOS

IR

Vibrations