Geometry & MOs

Info

ID:	44160
PubChem CID:	10501224
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	401.206304
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	2.09
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]butanoylamino]acetate

Drug info:

PubChemData

Smile

C[C@]12[C@@H]3C[C@H]([C@]1(C(=O)N(C2=O)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C=C3

DOS

IR

Vibrations